5-cyclopropyl-4-ethyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclopropyl-4-ethyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-4-ethyl-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-ethyl-2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-4-ethyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-ethyl-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C19H28N5O2S2+ MolecularWeight: 422.58792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C4CC4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C4CC4

InChI

InChI=1S/C19H27N5O2S2/c1-3-23-18(16-6-7-16)20-24(19(23)27)14-21-10-12-22(13-11-21)28(25,26)17-8-4-15(2)5-9-17/h4-5,8-9,16H,3,6-7,10-14H2,1-2H3/p+1